Row 14313

Row ID: 14313 | Dataset Entry | Axioma AXP Content Repository

Content Data

This page contains data entry 14313 from the Axioma AXP content repository. The structured data below represents the complete record for this entry.

Yes.

What you want is that identical atomic environments that are related by a rotation/translation to have the same representation. So you do actually want them to have the same equivariances.

The way you do this is to represent atomic environments in terms of radial and spherical harmonics expansions, and then when you wish to combine these features together (eg to increase the body-order or to do message passing, or to simply make the features more complex), you use Clebsch-Gordon tensor products to mix them together. This operation ensures that the resulting feature is equivariant with respect to E(3) group.

FieldValue
text Yes. What you want is that identical atomic environments that are related by a rotation/translation to have the same representation. So you do actually want them to have the same equivariances. The way you do this is to represent atomic environments in terms of radial and spherical harmonics expansions, and then when you wish to combine these features together (eg to increase the body-order or to do message passing, or to simply make the features more complex), you use Clebsch-Gordon tensor p…
label r/machinelearning
dataType comment
communityName r/MachineLearning
datetime 2024-05-20
username_encoded Z0FBQUFBQm5Lakw4ZXlySS1oYVRtX25oZmoxeWRoUDNRdHc5Z3libU10dUdfWEhySnNCNk9ZYll3aDRfbHJkNEpRQkRaVTVaZ2d3N0N0dGo3Wk1WOHFpV0xvT0lpYVZPRUE9PQ==
url_encoded Z0FBQUFBQm5Lak9MS0tDR2hBdW5TQ1BpM0FkOV9NaUt4a2p5b2xtYXdzSlM0czVXcmcwMENfbVJNb2VGUno1Ri16MHlQMHBoUzJRVU5tNXJRejBpMmtGWFpKT0tmN3k2ZFhUcjFmUERQWnQ0dEFoMklsUTdFNHNXNjQ4LWVMXzhhS0Y3OTZXZHNoTXA4VUlBSDk1WXpBRHk0ZUNQeGxyWExzdmZWZWM3a1NrNWpIQUNOempnbk5ReVVDcjlOdUdMZFNBNmZudGM4dlJBbm1wb1RqT3hVVndlUV83TDNzbGVpZEVRdFFyOHJjR1UyRzl2Qlp4Q0FDTT0=

Raw Record

{
  "text": "Yes.\n\nWhat you want is that identical atomic environments that are related by a rotation/translation to have the same representation. So you do actually want them to have the same equivariances. \n\nThe way you do this is to represent atomic environments in terms of radial and spherical harmonics expansions, and then when you wish to combine these features together (eg to increase the body-order or to do message passing, or to simply make the features more complex), you use Clebsch-Gordon tensor products to mix them together. This operation ensures that the resulting feature is equivariant with respect to E(3) group.",
  "label": "r/machinelearning",
  "dataType": "comment",
  "communityName": "r/MachineLearning",
  "datetime": "2024-05-20",
  "username_encoded": "Z0FBQUFBQm5Lakw4ZXlySS1oYVRtX25oZmoxeWRoUDNRdHc5Z3libU10dUdfWEhySnNCNk9ZYll3aDRfbHJkNEpRQkRaVTVaZ2d3N0N0dGo3Wk1WOHFpV0xvT0lpYVZPRUE9PQ==",
  "url_encoded": "Z0FBQUFBQm5Lak9MS0tDR2hBdW5TQ1BpM0FkOV9NaUt4a2p5b2xtYXdzSlM0czVXcmcwMENfbVJNb2VGUno1Ri16MHlQMHBoUzJRVU5tNXJRejBpMmtGWFpKT0tmN3k2ZFhUcjFmUERQWnQ0dEFoMklsUTdFNHNXNjQ4LWVMXzhhS0Y3OTZXZHNoTXA4VUlBSDk1WXpBRHk0ZUNQeGxyWExzdmZWZWM3a1NrNWpIQUNOempnbk5ReVVDcjlOdUdMZFNBNmZudGM4dlJBbm1wb1RqT3hVVndlUV83TDNzbGVpZEVRdFFyOHJjR1UyRzl2Qlp4Q0FDTT0="
}
Explore Dataset Explore Row

Entry Information